![(3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate structure](/static/products/101/1012737-22-2.webp)
(3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate
TL;DR: (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate (CAS 1012737-22-2) is a chemical compound with molecular formula C16H15FN2O5 and molecular weight 334.0965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-fluorophenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate
Also Known As: (3-fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate, 3-Fluorobenzyl 2-((2-hydroxyethyl)amino)-5-nitrobenzoate, (3-fluorophenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate, (3-fluorophenyl)methyl 2-[(2-hydroxyethyl)amino]-5-nitrobenzoate
Technical Specifications
| Molecular Formula | C16H15FN2O5 |
| Molecular Weight | 334.0965 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.0965 Da |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
| SMILES | C1=CC(=CC(=C1)F)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO |
| InChIKey | AKOLKGIEYFHHHZ-UHFFFAOYSA-N |
Chemical Property Profile of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate
Property Insights of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate
The XLogP value of 3.0 indicates that (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate. Following Lipinski's Rule of Five, (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate?
The CAS number of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate is 1012737-22-2.
What is the molecular formula of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate?
The molecular formula of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate is C16H15FN2O5.
What is the molecular weight of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate?
The molecular weight of (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate is 334.0965 g/mol.
Where can I buy (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate?
You can request a quote for (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for (3-Fluorophenyl)methyl2-[(2-hydroxyethyl)amino]-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.